1-(3-chlorophenyl)-3-[5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]urea

C15H16ClN5O2S — CID 50825578

IUPAC1-(3-chlorophenyl)-3-[5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1nnc(CC(=O)N2CCCC2)s1
InChIInChI=1S/C15H16ClN5O2S/c16-10-4-3-5-11(8-10)17-14(23)18-15-20-19-12(24-15)9-13(22)21-6-1-2-7-21/h3-5,8H,1-2,6-7,9H2,(H2,17,18,20,23)
InChIKeyLMFKOASHPJUNNZ-UHFFFAOYSA-N
MW365.85 g/mol
LogP3.00
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]urea

1-(3-chlorophenyl)-3-[5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]urea (PubChem CID 50825578) has the molecular formula C15H16ClN5O2S and a molecular weight of 365.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]urea
PubChem CID50825578
Molecular FormulaC15H16ClN5O2S
Molecular Weight365.85 g/mol
Exact Mass365.07
IUPAC Name1-(3-chlorophenyl)-3-[5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1nnc(CC(=O)N2CCCC2)s1
InChIInChI=1S/C15H16ClN5O2S/c16-10-4-3-5-11(8-10)17-14(23)18-15-20-19-12(24-15)9-13(22)21-6-1-2-7-21/h3-5,8H,1-2,6-7,9H2,(H2,17,18,20,23)
InChIKeyLMFKOASHPJUNNZ-UHFFFAOYSA-N
XLogP3.00
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.85
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-chlorophenyl)-3-[5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]urea (CID 50825578) is 1-(3-chlorophenyl)-3-[5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]urea is O=C(Nc1cccc(Cl)c1)Nc1nnc(CC(=O)N2CCCC2)s1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is LMFKOASHPJUNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O2S/c16-10-4-3-5-11(8-10)17-14(23)18-15-20-19-12(24-15)9-13(22)21-6-1-2-7-21/h3-5,8H,1-2,6-7,9H2,(H2,17,18,20,23).
What are the key properties of 1-(3-chlorophenyl)-3-[5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]urea?
1-(3-chlorophenyl)-3-[5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 365.85 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 50825578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).